OpenContact
OpenContact src requires the fortran files to be complied using f2py from the scipy package:
f2py -c -m contact contactgui.f
f2py -c -m it inputgui.f
Command line invocation
./main_cli.py --help
usage: main_cli.py [-h] [-a PROTA] [-b PROTB] [-A PROTA_CHAIN]
[-B PROTB_CHAIN] [-t]
OpenContact
optional arguments:
-h, --help show this help message and exit
-a PROTA, --protA PROTA
Path to proteinA.pdb
-b PROTB, --protB PROTB
Path to proteinB.pdb
-A PROTA_CHAIN, --protA_chain PROTA_CHAIN
proteinA chain
-B PROTB_CHAIN, --protB_chain PROTB_CHAIN
proteinB chain
-t, --tabular Create tab separated map files
Example:
main_cli.py -a ../Examples/gp41/1AIK.pdb -A C -b ../Examples/gp41/1AIK.pdb -B N -t
Citation:
doi: 10.1002/prot.24592
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4369124/